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82557-14-0 | 3-ethyl-2-[3-(3-ethyl-5-phenyl-benzooxazol-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-benzooxazole
CAS No: 82557-14-0 Catalog No: AG008IU3 MDL No:
Product Description
Catalog Number:
AG008IU3
Chemical Name:
3-ethyl-2-[3-(3-ethyl-5-phenyl-benzooxazol-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-benzooxazole
CAS Number:
82557-14-0
Molecular Formula:
C34H32N2O2
Molecular Weight:
500.6301
IUPAC Name:
3-ethyl-2-[3-(3-ethyl-5-phenyl-2H-1,3-benzoxazol-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C34H32N2O2/c1-4-35-29-22-27(25-12-8-6-9-13-25)16-18-31(29)37-33(35)20-24(3)21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-14-10-7-11-15-26/h6-23,33H,4-5H2,1-3H3
InChI Key:
XPWRHQVVHBTUIH-UHFFFAOYSA-N
SMILES:
CCN1C(C=C(C=c2oc3c(n2CC)cc(cc3)c2ccccc2)C)Oc2c1cc(cc2)c1ccccc1
Properties
Complexity:
841
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.246g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.642g/mol
Monoisotopic Mass:
500.246g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
9
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